SCHEMBL29168570

SCHEMBL29168570

CC(C)(C)OC(=O)n1cc2cccc(C=O)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.35
NR1H2 P55055 3/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ERN1 O75460 2/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GRM5 P41594 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
BACE1 P56817 1/20 0.32
CYP11B2 P19099 1/20 0.32
CHRM2 P08172 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28970109 0.80 UCHL1 (0.37) BCHENR1H2L3MBTL1KMT2AMEN1
SCHEMBL5184141 0.78 BCHE (0.47) BCHENR1H2L3MBTL1KMT2AMEN1
SCHEMBL23727209 0.73 ERN1 (0.33) BCHEERN1GPR119
SCHEMBL18128348 0.73 BCHE (0.38) BCHEGPR119
SCHEMBL20571011 0.72 HDAC1 (0.39) BCHENR1H2POLBKDM4EKMT2A
SCHEMBL1760744 0.72 MEN1 (0.43) BCHENR1H2L3MBTL1KMT2AMEN1
SCHEMBL16098410 0.72 ACLY (0.45) BCHENR1H2POLBKDM4EL3MBTL1
SCHEMBL31305878 0.70 MAP2K4 (0.39) L3MBTL1KMT2AMEN1NPC1RAB9A
SCHEMBL13291543 0.70 NR1H2 (0.40) NR1H2POLBL3MBTL1CHRM2CHRM4
SCHEMBL26123523 0.70 MAP2K4 (0.39) L3MBTL1KMT2AMEN1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 CN disclosed